Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108399

SCHEMBL1108399

SCHEMBL1108399

c1ccc(Cc2ncnc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.53
▸ HTT P42858 3/20 0.53
▸ GALR3 O60755 2/20 0.53
▸ NR2F2 P24468 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ APP P05067 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ ADORA2A P29274 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ KIT P10721 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7511027 0.86 EGFR (0.57) EGFRHTTGALR3NR2F2RAB9A
SCHEMBL7516533 0.82 EGFR (0.60) EGFRHTTNR2F2RAB9AALDH1A1
SCHEMBL12603256 0.82 AHR (0.50) EGFRHTTGALR3NR2F2RAB9A
SCHEMBL8547170 0.81 HTT (0.55) EGFRHTTGALR3NR2F2RAB9A
SCHEMBL27887765 0.80 CCNC (0.43) EGFRHTTGALR3NR2F2RAB9A
SCHEMBL19916688 0.80 EGFR (0.43) EGFRHTTALDH1A1LMNAMAPK1
SCHEMBL13164158 0.80 HTT (0.52) EGFRHTTALDH1A1LMNAMAPK1
SCHEMBL24759751 0.78 ADORA2A (0.42) EGFRHTTGALR3NR2F2RAB9A
SCHEMBL27605888 0.76 IP6K1 (0.51) EGFRRAB9AALDH1A1LMNAMAPK1
SCHEMBL11728330 0.76 PI4KA (0.55) EGFRHTTGALR3NR2F2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 — — EP claimed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 — — US disclosed
US-20110237794-A1 Spiro Compounds And Methods Of Use CHEN GUOQING PAUL 2011-09-29 — — US disclosed
US-7977346-B2 Spiro compounds and methods of use CHEN GUOQING PAUL 2011-07-12 — — US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 — — US disclosed
US-20070167470-A1 Spiro compounds and methods of use CHEN GUOQING P 2007-07-19 — — US disclosed
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 EGFR 1629/4885HTT 2189/4885GALR3 304/4885
US-20110237794-A1 Spiro Compounds And Methods Of Use TEK, KDR, EGFR EGFR 3/4885HTT 3454/4885GALR3 3232/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 EGFR 1920/4885HTT 1980/4885GALR3 250/4885
US-20070167470-A1 Spiro compounds and methods of use TEK, KDR, EGFR EGFR 3/4885HTT 3454/4885GALR3 3232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.